5-Bromo-1-benzofuran

C₈H₅BrOCAS 23145-07-5197.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₅BrO
Molar mass: 197.03 g/mol
Exact mass: 195.9524 Da
logP: 3.20Crippen estimate
Polar surface area: 13.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

23145-07-5

SMILES

C1=CC2=C(C=CO2)C=C1Br

InChIKey

AYOVPQORFBWFNO-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzofuran, 5-bromo-

Work with 5-Bromo-1-benzofuran

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Benzofuranol13196-10-657 % similar 6-Bromochromone51483-92-253 % similar 2,6-Dibromonaphthalene13720-06-450 % similar 5-Methoxybenzofuran13391-28-148 % similar Benzofuran-5-boronic acid331834-13-048 % similar 2,7-Dibromonaphthalene58556-75-548 % similar 1-Benzofuran-5-carbaldehyde10035-16-247 % similar 2,8-Dibromodibenzofuran10016-52-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Bromobenzofuran128851-73-0 4-Bromobenzofuran128868-60-0 7-Bromo-1-benzofuran133720-60-2 2-Bromo-1-benzofuran54008-77-4 3-Bromo-1-benzofuran59214-70-9

Elsewhere

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